3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane

C24H42N2O3 — CID 167292036

IUPAC3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(C1)N2CCC(C)(C)OC1CC2CCC(C1)N2C1COC1
InChIInChI=1S/C24H42N2O3/c1-4-28-22-11-17-5-6-18(12-22)25(17)10-9-24(2,3)29-23-13-19-7-8-20(14-23)26(19)21-15-27-16-21/h17-23H,4-16H2,1-3H3
InChIKeyQOYZWJGBTHBLPH-UHFFFAOYSA-N
MW406.61 g/mol
LogP3.60
Rot. Bonds8

About 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane

3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane (PubChem CID 167292036) has the molecular formula C24H42N2O3 and a molecular weight of 406.61 g/mol. Its IUPAC name is 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane
PubChem CID167292036
Molecular FormulaC24H42N2O3
Molecular Weight406.61 g/mol
Exact Mass406.32
IUPAC Name3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(C1)N2CCC(C)(C)OC1CC2CCC(C1)N2C1COC1
InChIInChI=1S/C24H42N2O3/c1-4-28-22-11-17-5-6-18(12-22)25(17)10-9-24(2,3)29-23-13-19-7-8-20(14-23)26(19)21-15-27-16-21/h17-23H,4-16H2,1-3H3
InChIKeyQOYZWJGBTHBLPH-UHFFFAOYSA-N
XLogP3.60
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane (CID 167292036) is 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane is CCOC1CC2CCC(C1)N2CCC(C)(C)OC1CC2CCC(C1)N2C1COC1.
What is the InChIKey of 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is QOYZWJGBTHBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3/c1-4-28-22-11-17-5-6-18(12-22)25(17)10-9-24(2,3)29-23-13-19-7-8-20(14-23)26(19)21-15-27-16-21/h17-23H,4-16H2,1-3H3.
What are the key properties of 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane?
3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 406.61 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-[3-methyl-3-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]butyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 167292036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).